CID 473474

9-oxoxanthene-2,5-dicarboxylic acid

Structural Information

Molecular Formula
C15H8O6
SMILES
C1=CC2=C(C(=C1)C(=O)O)OC3=C(C2=O)C=C(C=C3)C(=O)O
InChI
InChI=1S/C15H8O6/c16-12-8-2-1-3-9(15(19)20)13(8)21-11-5-4-7(14(17)18)6-10(11)12/h1-6H,(H,17,18)(H,19,20)
InChIKey
JWTBQSDRJBJOSF-UHFFFAOYSA-N
Compound name
9-oxoxanthene-2,5-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

284.03207 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.039346 155.3
[M+Na]+ 307.021288 166.2
[M-H]- 283.024794 160.3
[M+NH4]+ 302.065893 170.5
[M+K]+ 322.995228 164.0
[M+H-H2O]+ 267.029330 148.7
[M+HCOO]- 329.030271 174.5
[M+CH3COO]- 343.045921 197.1
[M+Na-2H]- 305.006736 162.7
[M]+ 284.03152142 160.2
[M]- 284.03261858 160.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe